4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid

C13H18N2O4 — CID 118174280

IUPAC4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid
SMILESCc1ccc(C2(O)CCN(C(=O)O)CC2)c(CO)n1
InChIInChI=1S/C13H18N2O4/c1-9-2-3-10(11(8-16)14-9)13(19)4-6-15(7-5-13)12(17)18/h2-3,16,19H,4-8H2,1H3,(H,17,18)
InChIKeyWPOOQNNGYHHRGL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds2

About 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid

4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid (PubChem CID 118174280) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid
PubChem CID118174280
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid
SMILESCc1ccc(C2(O)CCN(C(=O)O)CC2)c(CO)n1
InChIInChI=1S/C13H18N2O4/c1-9-2-3-10(11(8-16)14-9)13(19)4-6-15(7-5-13)12(17)18/h2-3,16,19H,4-8H2,1H3,(H,17,18)
InChIKeyWPOOQNNGYHHRGL-UHFFFAOYSA-N
XLogP0.84
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid (CID 118174280) is 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid is Cc1ccc(C2(O)CCN(C(=O)O)CC2)c(CO)n1.
What is the InChIKey of 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid?
The InChIKey is WPOOQNNGYHHRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-2-3-10(11(8-16)14-9)13(19)4-6-15(7-5-13)12(17)18/h2-3,16,19H,4-8H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid?
4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[2-(hydroxymethyl)-6-methyl-3-pyridinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118174280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).